(8R)-5-hydroxy-8-methyl-6-[(2R)-2-methylbutanoyl]-8-(4-methylpent-3-enyl)-4-phenylpyrano[2,3-h]chromen-2-one
| Internal ID | 213a8950-7404-41b3-86c9-45634e46869d |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | (8R)-5-hydroxy-8-methyl-6-[(2R)-2-methylbutanoyl]-8-(4-methylpent-3-enyl)-4-phenylpyrano[2,3-h]chromen-2-one |
| SMILES (Canonical) | CCC(C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=CC(O2)(C)CCC=C(C)C |
| SMILES (Isomeric) | CC[C@@H](C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=C[C@@](O2)(C)CCC=C(C)C |
| InChI | InChI=1S/C30H32O5/c1-6-19(4)26(32)25-27(33)24-22(20-12-8-7-9-13-20)17-23(31)34-28(24)21-14-16-30(5,35-29(21)25)15-10-11-18(2)3/h7-9,11-14,16-17,19,33H,6,10,15H2,1-5H3/t19-,30-/m1/s1 |
| InChI Key | MONBMSYSHZWTET-HZAQMHFWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H32O5 |
| Molecular Weight | 472.60 g/mol |
| Exact Mass | 472.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
![2D Structure of (8R)-5-hydroxy-8-methyl-6-[(2R)-2-methylbutanoyl]-8-(4-methylpent-3-enyl)-4-phenylpyrano[2,3-h]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/441a3c90-8658-11ee-be35-f95957b90516.jpg "2D Structure of (8R)-5-hydroxy-8-methyl-6-[(2R)-2-methylbutanoyl]-8-(4-methylpent-3-enyl)-4-phenylpyrano[2,3-h]chromen-2-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.32% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.10% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.69% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.77% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.01% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.72% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.27% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.39% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.38% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.85% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.31% | 99.23% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.01% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.74% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.80% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.09% | 90.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.55% | 91.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.08% | 97.28% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Mesua ferrea |
| PubChem | 162952483 |
| LOTUS | LTS0035940 |
| wikiData | Q105169006 |